(7a)-3,7-Dihydroxy-Estra-1,3,5(10)-trien-17-one
[CAS# 2487-49-2]

Identification

• Name: (7a)-3,7-Dihydroxy-Estra-1,3,5(10)-trien-17-one
• Synonyms: 7-Hydroxyestrone; Estra-1,3,5(10)-Trien-17-One, 3,7-Dihydroxy-, (7Alpha)-
• Molecular Formula: C₁₈H₂₂O₃
• Molecular Weight: 286.37
• CAS Registry Number: 2487-49-2
• SMILES: [C@@H]23C(CC1=C(C=CC(=C1)O)[C@H]2CC[C@]4([C@H]3CCC4=O)C)O
• InChI: 1S/C18H22O3/c1-18-7-6-13-12-3-2-11(19)8-10(12)9-15(20)17(13)14(18)4-5-16(18)21/h2-3,8,13-15,17,19-20H,4-7,9H2,1H3/t13-,14+,15?,17-,18+/m1/s1
• InChIKey: MXXBVPDRVYYYJY-PETKQJPQSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 493.175°C at 760 mmHg (Cal.)
• Flash point: 266.162°C (Cal.)